From 3cd136861c68b8c24cc653c903c620d55be4b294 Mon Sep 17 00:00:00 2001 From: Andreas Maunz Date: Mon, 2 Apr 2012 09:18:14 +0200 Subject: Remove PC descriptor --- .../4-(methylimino)cyclohexa-2,5-dien-1-one.mol | 23 ---------------------- 1 file changed, 23 deletions(-) delete mode 100644 java/resources/smartsEvaluation/4-(methylimino)cyclohexa-2,5-dien-1-one.mol (limited to 'java/resources/smartsEvaluation/4-(methylimino)cyclohexa-2,5-dien-1-one.mol') diff --git a/java/resources/smartsEvaluation/4-(methylimino)cyclohexa-2,5-dien-1-one.mol b/java/resources/smartsEvaluation/4-(methylimino)cyclohexa-2,5-dien-1-one.mol deleted file mode 100644 index 2acceac..0000000 --- a/java/resources/smartsEvaluation/4-(methylimino)cyclohexa-2,5-dien-1-one.mol +++ /dev/null @@ -1,23 +0,0 @@ -4-(methylimino)cyclohexa-2,5-dien-1-one - -ISIS- 2D -Used JOELib chemistry kernel (expert systems) ID is 715333816 - 9 9 0 0 0 0 0 0 0 0 1 V2000 - 17.0888 -6.8970 -0.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.9513 -5.6389 -0.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 - 15.8764 -7.3987 -0.3337 N 0 0 0 0 0 0 0 0 0 0 0 0 - 14.4666 -6.5683 -0.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 - 17.8439 -5.0005 -0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 - 18.8479 -5.7083 -0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 - 18.9567 -6.9496 -0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 - 18.0430 -7.8213 -0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 - 21.0621 -6.9571 -0.6842 O 0 0 0 0 0 0 0 0 0 0 0 0 - 2 1 1 0 0 0 0 - 3 1 2 0 0 0 0 - 4 3 1 0 0 0 0 - 5 2 2 0 0 0 0 - 6 5 1 0 0 0 0 - 7 6 1 0 0 0 0 - 8 7 2 0 0 0 0 - 8 1 1 0 0 0 0 - 9 6 2 0 0 0 0 -M END -- cgit v1.2.3